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KU-MGB / DeFluorX

DeFluorX: Discovering FAcDs for PFAS Defluorination

reproducible-research computational-biology python3 computational-chemistry moleculardynamics qm-mm structural-bioinformatics pfas qm-mm-molecular-dynamics-simulation pfas-removal pfas-dashboard facds defluorination watermap qsite defluorx

Updated Oct 11, 2026
Python

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